Beta-glucosidase
Target ID: CHEMBL3761
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| MIGALASTAT | OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O | Ki: 34000000.0 nM |  |
| NIZUBAGLUSTAT | OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 | IC50: 2.5 nM |  |
| DUVOGLUSTAT | OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O | IC50: 91900.0 nM |  |
| MIGLUSTAT | CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO | IC50: 2100.0 nM |  |
| LUCERASTAT | CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO | IC50: 10000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [8*]CO | 4.96 | 195 |  |
| C1CCNCC1 | 4.05 | 156 |  |
| [4*]CCCC | 5.34 | 78 |  |
| [13*][C@H]1NC[C@H](O)[C@@H](O)[C@H]1O | 1.47 | 39 |  |
| [3*]O[3*] | 8.6 | 39 |  |